High-resolution structure of double helical DNA dodecamer and antitumer antibiotic (+)-CC-1065 complex has been determined. The combination of 2D NMR experimental data and restrained molecular dynamics calculation and computer graphic methods has contributed a great insight of understanding the 3D structure of DNA-Drug complex. The structure information assisted the molecular design of new drugs have better efficacy and less toxicity. One of the (+)-CC1065 analogue has already been on Clinical trial II at Upjohn Company. The MidasPlus program had a special role in this project: we used it in combination with AMBER modules for model building. At first, we constructed separate components of the DNA double helixes and the drug CC-1065 by AMBER and AMPAC programs. Then we interactively docked them together with the MidasPlus at the Computer Graphics LaboratorySGI workstations. The result of docking was used for further calculations by AMBER molecular dynamic calculation with NMR experimental distance constraint to refine the 3D structure of DNA-drug complex. Finally, the refined solution structure visualization and the graphic presentation was using the MidasPlus walleye, neon, and labeled options.